COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186294
Chemical Name: ethyl2-{3-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C(\C(=O)Nc1ccccc1)/C#N

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Molecular Weight: 473.6
Empirical Formula: C27H27N3O3S

Physical State: Dry powder
Available Amount: 1327 mg

Lipinsky:
logP: 7.004
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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